tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane

C33H24N3Sb — CID 164717588

IUPACtris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane
SMILES[2H]c1nc(-c2c([2H])c([2H])c([2H])c([2H])c2[Sb](c2c([2H])c([2H])c([2H])c([2H])c2-c2nc([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/3C11H8N.Sb/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-6,8-9H;/i3*1D,2D,3D,4D,5D,6D,8D,9D;
InChIKeyVBUZAEHBMJVAKH-AZBGJXTFSA-N
MW608.48 g/mol
LogP5.39
Rot. Bonds6

About tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane

tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane (PubChem CID 164717588) has the molecular formula C33H24N3Sb and a molecular weight of 608.48 g/mol. Its IUPAC name is tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane.

Molecular Properties

Compound Nametris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane
PubChem CID164717588
Molecular FormulaC33H24N3Sb
Molecular Weight608.48 g/mol
Exact Mass607.25
IUPAC Nametris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane
SMILES[2H]c1nc(-c2c([2H])c([2H])c([2H])c([2H])c2[Sb](c2c([2H])c([2H])c([2H])c([2H])c2-c2nc([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/3C11H8N.Sb/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-6,8-9H;/i3*1D,2D,3D,4D,5D,6D,8D,9D;
InChIKeyVBUZAEHBMJVAKH-AZBGJXTFSA-N
XLogP5.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 59070802
2,3,4,5-tetradeuterio-6-(2,3,4-trideuterio-5-methylphenyl)pyridine
CID 154590304
2-([1]benzothiolo[7,6-b][1]benzofuran-9-yl)-3,4,5,6-tetradeuteriopyridine
CID 168829507
2,3,4,5,6,7,8-heptadeuterio-1,10-phenanthroline
CID 166509195
2-[4-anthracen-9-yl-3,5-dideuterio-6-(3,4,5-trideuterio-2-pyridinyl)-2-pyridinyl]-3,4,5,6-tetradeuteriopyridine
CID 172553681
3,4,5,6,7,8-hexadeuterio-2-(3,4,5,6,7,8-hexadeuterioquinolin-2-yl)quinoline
CID 102271519
3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 140711713
1,2,3,5,6,7,8,9,10-nonadeuteriobenzo[f]quinoline
CID 15555077
2-[4-[2,4-bis(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(3,4,5,6,7,8-hexadeuterionaphthalen-1-yl)furan-3-yl]naphthalen-1-yl]-3,4,5,6,7,8,9-heptadeuterio-1,10-phenanthroline
CID 166508903
2,3,4-trideuterioquinoline
CID 20628621
2,3,4,5,6,7,8,10-octadeuterio-1,9-phenanthroline
CID 90478186
2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
CID 176634609

Frequently Asked Questions

What is the IUPAC name of tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane?
The IUPAC name of tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane (CID 164717588) is tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane.
What is the SMILES notation for tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane?
The canonical SMILES for tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane is [2H]c1nc(-c2c([2H])c([2H])c([2H])c([2H])c2[Sb](c2c([2H])c([2H])c([2H])c([2H])c2-c2nc([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2-c2nc([2H])c([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].
What is the InChIKey of tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane?
The InChIKey is VBUZAEHBMJVAKH-AZBGJXTFSA-N. The full InChI is InChI=1S/3C11H8N.Sb/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-6,8-9H;/i3*1D,2D,3D,4D,5D,6D,8D,9D;.
What are the key properties of tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane?
tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane has a molecular weight of 608.48 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2,3,4,5-tetradeuterio-6-(3,4,5,6-tetradeuterio-2-pyridinyl)phenyl]stibane is sourced from PubChem (CID 164717588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).